2-[3-[(3-bromanylpyridin-2-yl)methylsulfanyl]propylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one dihydrochloride

Systemtic Name: 2-[3-[(3-bromanylpyridin-2-yl)methylsulfanyl]propylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one dihydrochloride Openeye Name: 2-[3-[(3-bromo-2-pyridyl)methylsulfanyl]propylamino]-5-(4-pyridylmethyl)-1H-pyrimidin-6-one dihydrochloride CAS Name: 2-[3-[(3-bromo-2-pyridinyl)methylthio]propylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one dihydrochloride IUPAC Name: 2-[3-[(3-bromopyridin-2-yl)methylsulfanyl]propylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one dihydrochloride Traditional Name: 2-[3-[(3-bromo-2-pyridyl)methylthio]propylamino]-5-(4-pyridylmethyl)-1H-pyrimidin-6-one dihydrochloride Formula: C19H22BrCl2N5OS MolecularWeight: 519.28588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)CSCCCNC2=NC=C(C(=O)N2)CC3=CC=NC=C3)Br.Cl.Cl

Isomeric SMILES

C1=CC(=C(N=C1)CSCCCNC2=NC=C(C(=O)N2)CC3=CC=NC=C3)Br.Cl.Cl

InChI

InChI=1S/C19H20BrN5OS.2ClH/c20-16-3-1-6-22-17(16)13-27-10-2-7-23-19-24-12-15(18(26)25-19)11-14-4-8-21-9-5-14;;/h1,3-6,8-9,12H,2,7,10-11,13H2,(H2,23,24,25,26);2*1H